2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid

C11H14N4O2 — CID 83841437

IUPAC2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid
SMILESCn1c(NC(C)(C)C(=O)O)nc2cnccc21
InChIInChI=1S/C11H14N4O2/c1-11(2,9(16)17)14-10-13-7-6-12-5-4-8(7)15(10)3/h4-6H,1-3H3,(H,13,14)(H,16,17)
InChIKeyNYMBVJQBJVQOMH-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid

2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid (PubChem CID 83841437) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid
PubChem CID83841437
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid
SMILESCn1c(NC(C)(C)C(=O)O)nc2cnccc21
InChIInChI=1S/C11H14N4O2/c1-11(2,9(16)17)14-10-13-7-6-12-5-4-8(7)15(10)3/h4-6H,1-3H3,(H,13,14)(H,16,17)
InChIKeyNYMBVJQBJVQOMH-UHFFFAOYSA-N
XLogP1.24
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
5,5-dimethyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]hexanamide
CID 155953426
4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one
CID 83857986
2-[1-[3-(methylamino)-3-oxopropyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292908
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine
CID 167913436
2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
CID 104729413
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 103462857
1-ethylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 131128805
2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid
CID 113427895
3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873092
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid (CID 83841437) is 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid is Cn1c(NC(C)(C)C(=O)O)nc2cnccc21.
What is the InChIKey of 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid?
The InChIKey is NYMBVJQBJVQOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-11(2,9(16)17)14-10-13-7-6-12-5-4-8(7)15(10)3/h4-6H,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid?
2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83841437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).